(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol

C16H16OSe — CID 134987900

IUPAC(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol
SMILESCC(O)/C(=C\c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H16OSe/c1-13(17)16(12-14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-13,17H,1H3/b16-12+
InChIKeyRLPWDLZYKXDCKL-FOWTUZBSSA-N
MW303.26 g/mol
LogP2.44
Rot. Bonds4

About (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol

(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol (PubChem CID 134987900) has the molecular formula C16H16OSe and a molecular weight of 303.26 g/mol. Its IUPAC name is (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol
PubChem CID134987900
Molecular FormulaC16H16OSe
Molecular Weight303.26 g/mol
Exact Mass304.04
IUPAC Name(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol
SMILESCC(O)/C(=C\c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H16OSe/c1-13(17)16(12-14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-13,17H,1H3/b16-12+
InChIKeyRLPWDLZYKXDCKL-FOWTUZBSSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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4-Phenylbut-3-en-2-ol
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(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
alpha-Methylcinnamic alcohol
CID 6393846
2-Methyl-3-phenyl-2-propen-1-ol
CID 560879
1,5-Diphenyl-1,4-pentadiyn-3-OL
CID 568438
2-Buten-1-ol, 3-phenyl-
CID 5462893
(4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
CID 13347322
(Z)-3-Phenyl-2-propen-1-ol
CID 5280511
(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol
CID 11746883

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol?
The IUPAC name of (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol (CID 134987900) is (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol?
The canonical SMILES for (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol is CC(O)/C(=C\c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol?
The InChIKey is RLPWDLZYKXDCKL-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H16OSe/c1-13(17)16(12-14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-13,17H,1H3/b16-12+.
What are the key properties of (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol?
(E)-4-phenyl-3-phenylselanylbut-3-en-2-ol has a molecular weight of 303.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-3-phenylselanylbut-3-en-2-ol is sourced from PubChem (CID 134987900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).